Evolving BlenX programs to simulate the evolution of biological networks

We present a formal approach to study the evolution of biological networks. We use the Beta Workbench and its BlenX language to model and simulate networks in connection with evolutionary algorithms. Mutations are done on the structure of BlenX programs and networks are selected at any generation by using a fitness function. The feasibility of the approach is illustrated with a simple example.     

Small sample improvements in the threshold cointegration test using residual-based moving block bootstrap

A residual-based moving block bootstrap procedure for testing the null hypothesis of linear cointegration versus cointegration with threshold effects is proposed. When the regressors and errors of the models are serially and contemporaneously correlated, our test compares favourably with the Sup LM test proposed by Gonzalo and Pitarakis. Indeed, shortcomings of the former motivated the development of our test. The small sample performance of the bootstrap test is investigated by Monte Carlo simulations, and the results show that the test performs better than the Sup LM test.     

虚拟人运动中受扰的平衡保持算法

为了更加真实且实时地模拟运动中虚拟人恢复平衡的反应动作,提出一种针对受到外界作用力扰动的虚拟人平衡保持算法.首先通过虚拟人质心位移和速度来判断平衡性;然后借助生物力学的研究成果设计了具有人体特性的虚拟人运动受扰后的平衡保持方法,并用动力学进行模拟,驱动虚拟人完成平衡恢复.实验结果表明:该算法计算效率高,符合人体的生物力学特性,并且具有良好的交互性与较好的视觉效果,适用于虚拟人动画合成.     

Computational simulation of Belousov–Zhabotinskii oscillating chemical reaction

The suitability of computational simulation of the Belousov–Zhabotinskii oscillating chemical reaction by differential kinetic methodology for resolving nonlinear multi-component system is demonstrated in this work. According to the Field–KÖrÖs–Noyes mechanism and the Oregonator model, the change of the concentrations of HBrO₂, bromide ion and cerium ion are simulated. The results of computational simulation are consistent with experimental results very well. At the same time, the effect of variables and parameters, especially the rate constant on the oscillation curve, are investigated deeply. A simple method of estimating rate constants is obtained through simulation the concentrations of key components of the system, and then comparison the simulation results with the experimental ones. The reasonable rate constant is also proposed.     

模拟时滞化学反应系统中的DK-Leap算法

最近发展的可精确模拟时滞化学反应系统的动力学状态的时滞随机模拟算法(delay stochastic simulation algorithm,DSSA)的模拟效率很低。本文提出了一个模拟时滞化学反应系统的加速DK-Leap(Delay K-Leap)算法。DK-Leap算法首先确定满足Leap条件的总反应次数K,然后利用得到τ的概率密度函数随机确定时间区间[t,t τ)。由于每个反应通道的反应次数由K确定,该算法可得到较好的模拟精度。数值试验表明DK-Leap算法在模拟时滞化学反应系统时能取得很好的性能。     

化工设备故障诊断仿真模型设计及计算分析

通过化工设备的结构模型、功能模型建立仿真模型,在对仿真模型分析的基础上得到症状与故障之间的数量关系并进行分析计算,推断出潜在的故障模式,为设计化工设备故障诊断专家系统奠定基础。     

Molecular simulation of phase coexistence: Finite-size effects and determination of critical parameters for two- and three-dimensional Lennard-Jones fluids

Abstact The subject of this paper is the investigation of finite-size effects and the determination of critical parameters for a class of truncated Lennard-Jones potentials. Despite significant recent progress in our ability to model phase equilibria in multicomponent mixtures from direct molecular simulations, the accurate determination of critical parameters remains a difficult problem. Gibbs ensemble Monte Carlo simulations with systems of controlled linear system size are used to obtain the phase behavior in the near-critical region for two- and three dimensional Lennard-Jones fluids with reduced cutoff radii of 3, 3.5, and 5. For the two-dimensional systems, crossover of the effective exponent for the width of the coexistence curve from mean field ( = 1/2 in the immediate vicinity of the critical point to Ising-like (= 1/8) farther away is observed. Critical parameters determined by fitting the data that follow Ising-like behavior are in good agreement with literature values obtained with finite-size scaling methods. For the three-dimensional systems, no crossover to mean field-type behavior was apparent. Extrapolated results for the critical parameters are consistent with literature estimates for similar fluids. For both two- and three-dimensional fluids, system size effects on the coexistence curves away from the critical point are small, normally within simulation statistical uncertainties.Invited paper presented at the Twelfth Symposium on Thermophysical Properties, June 19–24, 1994, Boulder. Colorado, U.S.A.     

Simulation analysis and experimental verification of coal suction characteristics of the new railway tunnel fallen coal dust collection device北大核心CSCD

Due to air turbulence, large areas of coal will fall when the special coal-transportation trains pass the tunnel exits and entrances. Aiming at the problems of low efficiency and high cost of manual cleaning for long distance coal cleaning in the tunnel, a new railway tunnel fallen coal dust collection device which was composed of a main conveying coal feeding pipe and multiple branch pipes of coal suction was designed. It was used to clean the small particles and lightweight railway tunnel fallen coal. Firstly, the gas-solid two-phase flow model based on the Euler-Lagrange approach for the design of the main conveying coal feeding pipe was established in the coal conveying pipelines. Secondly, the effect of the coal particles' incident angle and multiple branch pipe spacing on the main coal conveying pipe flow field, which was based on Fluent finite element simulation software, was studied. What was more, the optimal angle of incidence and the optimal value of the number of branch coal suction pipe, which was installed on the main conveying pipe, were analyzed. Finally, the finite element simulation was verified by field test. Simulation and experimental results showed that it was more conducive to the railway tunnel fallen coal transportation when coal particles' incident angle was less than 45° and the branch pipe spacing was in the vicinity of 750 mm. For that when incident angle was less than 45°, the main conveying coal pipe pressure-drop became weaker and particle flow could obtain large horizontal transport velocity. And when the branch pipe spacing was in the vicinity of 750 mm, the horizontal transport velocity had a smaller fluctuation range and the transportation of coal was larger than that of the other groups. The research results are of great significance to improve the structure of the main conveying coal pipe, increase the efficiency of tunnel coal conveying and optimize the railway tunnel coal dust collection device.     

Using dynamic demand information and zoning for the storage of non-uniform density stock keeping units

The warehouse order-picking operation is one of the most labour-intense activities that has an important impact on responsiveness and efficiency of the supply chain. An understanding of the impact of the simultaneous effects of customer demand patterns and order clustering, considering physical restrictions in product storage, is critical for improving operational performance. Storage restrictions may include storing non-uniform density stock keeping units (SKUs) whose dimensions and weight constrain the order-picking operation given that a priority must be followed. In this paper, a heuristic optimisation based on a quadratic integer programming is employed to generate a layout solution that considers customer demand patterns and order clustering. A simulation model is used to investigate the effects of creating and implementing these layout solutions in conjunction with density zones to account for restrictions in non-uniform density SKUs. Results from combining layout optimisation heuristics and density zoning indicate statistical significant differences between assignments that ignore the aforementioned factors and those that recognise it.     

高能超声分散纳米晶须的数值和物理模拟

为研究高能超声处理制备纳米复合材料过程中纳米增强相在熔体中的分散过程,采用甘油为介质分别进行了数值模拟以及物理模拟。数值模拟结果表明,当超声作用于甘油中时,甘油中会形成中心-底面-壁面-中心的环形流动,变幅杆探头端面边缘附近甘油流体存在最大的流动速度,且随着超声功率的增大,流体运动速度增大。物理模拟实验结果显示,高能超声作用下甘油的实际运动行为与数值模拟结果相符合,存在环形流动;此外,高能超声作用下甘油中存在明显的空化效应;纳米晶须在超声作用下于甘油中分散良好,且随着超声功率的增大,达到充分分散所需时间变短。